2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide

C12H18N2O3S2 — CID 81409100

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)CC1CS(=O)(=O)CCN1)c1cccs1
InChIInChI=1S/C12H18N2O3S2/c1-9(11-3-2-5-18-11)14-12(15)7-10-8-19(16,17)6-4-13-10/h2-3,5,9-10,13H,4,6-8H2,1H3,(H,14,15)/t9-,10?/m1/s1
InChIKeyRKVPZXDUFLVXED-YHMJZVADSA-N
MW302.42 g/mol
LogP0.70
Rot. Bonds4

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide (PubChem CID 81409100) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
PubChem CID81409100
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)CC1CS(=O)(=O)CCN1)c1cccs1
InChIInChI=1S/C12H18N2O3S2/c1-9(11-3-2-5-18-11)14-12(15)7-10-8-19(16,17)6-4-13-10/h2-3,5,9-10,13H,4,6-8H2,1H3,(H,14,15)/t9-,10?/m1/s1
InChIKeyRKVPZXDUFLVXED-YHMJZVADSA-N
XLogP0.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81409085
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81410503
2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687090
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 80520928
N-[1-(3-chlorophenyl)ethyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80518150
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81353088
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 80519770
N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520375
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-ethylpentan-2-yl)acetamide
CID 80520807
N-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520720
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide
CID 80519870
2-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80520223

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide (CID 81409100) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide is C[C@@H](NC(=O)CC1CS(=O)(=O)CCN1)c1cccs1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is RKVPZXDUFLVXED-YHMJZVADSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-9(11-3-2-5-18-11)14-12(15)7-10-8-19(16,17)6-4-13-10/h2-3,5,9-10,13H,4,6-8H2,1H3,(H,14,15)/t9-,10?/m1/s1.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 302.42 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 81409100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).